1-amino-3-(cyclopropylmethoxy)propan-2-ol

• ChemBase ID: 266618
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C1CC1COCC(O)CN
• Canonical SMILES: NCC(COCC1CC1)O
• InChI: InChI=1S/C7H15NO2/c8-3-7(9)5-10-4-6-1-2-6/h6-7,9H,1-5,8H2
• InChIKey: CPNLELVAINVYEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(cyclopropylmethoxy)propan-2-ol
• IUPAC Traditional name: 1-amino-3-(cyclopropylmethoxy)propan-2-ol
• Synonyms: 1-amino-3-(cyclopropylmethoxy)propan-2-ol

Database IDs

• MDL Number: MFCD11136682
• PubChem SID: 164322528
• PubChem CID: 43188640

CALCULATED PROPERTIES

• Acid pKa: 14.115156
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.512797
• LogD (pH = 7.4): -2.595881
• Log P: -0.52219206
• Molar Refractivity: 38.8668 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.525

Product Information

• Purity: 95%